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N-Acetyl-4-(4-methoxyphenyl)-3-morpholinopyrrol-2-carboxylic acid, methyl ester
SpectraBase Compound ID 7ZbHhQYo4ol
InChI InChI=1S/C19H22N2O5/c1-13(22)21-12-16(14-4-6-15(24-2)7-5-14)17(18(21)19(23)25-3)20-8-10-26-11-9-20/h4-7,12H,8-11H2,1-3H3
InChIKey ADZLNEDQTILDCH-UHFFFAOYSA-N
Mol Weight 358.39 g/mol
Molecular Formula C19H22N2O5
Exact Mass 358.152872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8JDtR1pxLTU
Name N-Acetyl-4-(4-methoxyphenyl)-3-morpholinopyrrol-2-carboxylic acid, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 358.152871811 u
Formula C19H22N2O5
InChI InChI=1S/C19H22N2O5/c1-13(22)21-12-16(14-4-6-15(24-2)7-5-14)17(18(21)19(23)25-3)20-8-10-26-11-9-20/h4-7,12H,8-11H2,1-3H3
InChIKey ADZLNEDQTILDCH-UHFFFAOYSA-N
Molecular Weight 358.394 g/mol
SMILES C=1N(C(C(OC)=O)=C(C1C1=CC=C(C=C1)OC)N1CCOCC1)C(C)=O